1-[1-[(3-ethoxyphenyl)methyl]-4-piperidin-1-yl-piperidin-4-yl]-4-(2-oxidanylidene-1,4-dihydroquinazolin-3-yl)-2-piperidin-1-yl-butane-1,4-dione

Systemtic Name: 1-[1-[(3-ethoxyphenyl)methyl]-4-piperidin-1-yl-piperidin-4-yl]-4-(2-oxidanylidene-1,4-dihydroquinazolin-3-yl)-2-piperidin-1-yl-butane-1,4-dione Openeye Name: 1-[1-[(3-ethoxyphenyl)methyl]-4-(1-piperidyl)-4-piperidyl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)-2-(1-piperidyl)butane-1,4-dione CAS Name: 1-[1-[(3-ethoxyphenyl)methyl]-4-(1-piperidinyl)-4-piperidinyl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)-2-(1-piperidinyl)butane-1,4-dione IUPAC Name: 1-[1-[(3-ethoxyphenyl)methyl]-4-piperidin-1-ylpiperidin-4-yl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)-2-piperidin-1-ylbutane-1,4-dione Traditional Name: 1-[1-(3-ethoxybenzyl)-4-piperidino-4-piperidyl]-4-(2-keto-1,4-dihydroquinazolin-3-yl)-2-piperidino-butane-1,4-dione Formula: C36H49N5O4 MolecularWeight: 615.80536

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)CN2CCC(CC2)(C(=O)C(CC(=O)N3CC4=CC=CC=C4NC3=O)N5CCCCC5)N6CCCCC6

Isomeric SMILES

CCOC1=CC=CC(=C1)CN2CCC(CC2)(C(=O)C(CC(=O)N3CC4=CC=CC=C4NC3=O)N5CCCCC5)N6CCCCC6

InChI

InChI=1S/C36H49N5O4/c1-2-45-30-14-11-12-28(24-30)26-38-22-16-36(17-23-38,40-20-9-4-10-21-40)34(43)32(39-18-7-3-8-19-39)25-33(42)41-27-29-13-5-6-15-31(29)37-35(41)44/h5-6,11-15,24,32H,2-4,7-10,16-23,25-27H2,1H3,(H,37,44)