8-(2-hydroxyethyl)-2-methoxy-3-phenylmethoxy-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-11-one

Systemtic Name: 8-(2-hydroxyethyl)-2-methoxy-3-phenylmethoxy-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-11-one Openeye Name: 3-benzyloxy-8-(2-hydroxyethyl)-2-methoxy-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-11-one CAS Name: 8-(2-hydroxyethyl)-2-methoxy-3-phenylmethoxy-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-11-one IUPAC Name: 8-(2-hydroxyethyl)-2-methoxy-3-phenylmethoxy-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-11-one Traditional Name: 3-benzoxy-8-(2-hydroxyethyl)-2-methoxy-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-11-one Formula: C22H22N2O4 MolecularWeight: 378.42108

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=O)N3C=C(CC3C=N2)CCO)OCC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=O)N3C=C(CC3C=N2)CCO)OCC4=CC=CC=C4

InChI

InChI=1S/C22H22N2O4/c1-27-20-10-18-19(11-21(20)28-14-15-5-3-2-4-6-15)23-12-17-9-16(7-8-25)13-24(17)22(18)26/h2-6,10-13,17,25H,7-9,14H2,1H3