sodium 1'-(1-cyclopropyl-5-ethoxy-isoquinolin-7-yl)carbonyl-6-(1,2,4-triaza-3-azanidacyclopenta-1,4-dien-5-yl)spiro[3H-chromene-2,4'-piperidine]-4-one

Systemtic Name: sodium 1'-(1-cyclopropyl-5-ethoxy-isoquinolin-7-yl)carbonyl-6-(1,2,4-triaza-3-azanidacyclopenta-1,4-dien-5-yl)spiro[3H-chromene-2,4'-piperidine]-4-one Openeye Name: sodium 1'-(1-cyclopropyl-5-ethoxy-isoquinoline-7-carbonyl)-6-(1,2,4-triaza-3-azanidacyclopenta-1,4-dien-5-yl)spiro[chromane-2,4'-piperidine]-4-one CAS Name: sodium 1'-[(1-cyclopropyl-5-ethoxy-7-isoquinolinyl)-oxomethyl]-6-(1,2,4-triaza-3-azanidacyclopenta-1,4-dien-5-yl)-4-spiro[3,4-dihydro-2H-1-benzopyran-2,4'-piperidine]one IUPAC Name: sodium 1'-(1-cyclopropyl-5-ethoxyisoquinoline-7-carbonyl)-6-(1,2,4-triaza-3-azanidacyclopenta-1,4-dien-5-yl)spiro[3H-chromene-2,4'-piperidine]-4-one Traditional Name: sodium 1'-(1-cyclopropyl-5-ethoxy-isoquinoline-7-carbonyl)-6-(1,2,4-triaza-3-azanidacyclopenta-1,4-dien-5-yl)spiro[chroman-2,4'-piperidine]-4-one Formula: C29H27N6NaO4 MolecularWeight: 546.55225

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C2C=CN=C(C2=CC(=C1)C(=O)N3CCC4(CC3)CC(=O)C5=C(O4)C=CC(=C5)C6=N[N-]N=N6)C7CC7.[Na+]

Isomeric SMILES

CCOC1=C2C=CN=C(C2=CC(=C1)C(=O)N3CCC4(CC3)CC(=O)C5=C(O4)C=CC(=C5)C6=N[N-]N=N6)C7CC7.[Na+]

InChI

InChI=1S/C29H27N6O4.Na/c1-2-38-25-15-19(14-21-20(25)7-10-30-26(21)17-3-4-17)28(37)35-11-8-29(9-12-35)16-23(36)22-13-18(5-6-24(22)39-29)27-31-33-34-32-27;/h5-7,10,13-15,17H,2-4,8-9,11-12,16H2,1H3;/q-1;+1