3-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]carbonyl-9-(3-methoxy-4-oxidanyl-phenyl)-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one

Systemtic Name: 3-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]carbonyl-9-(3-methoxy-4-oxidanyl-phenyl)-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one Openeye Name: 9-(4-hydroxy-3-methoxy-phenyl)-3-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one CAS Name: 9-(4-hydroxy-3-methoxyphenyl)-3-[[(2S)-2-(hydroxymethyl)-1-pyrrolidinyl]-oxomethyl]-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one IUPAC Name: 9-(4-hydroxy-3-methoxyphenyl)-3-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one Traditional Name: 9-(4-hydroxy-3-methoxy-phenyl)-3-[(2S)-2-methylolpyrrolidine-1-carbonyl]-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one Formula: C26H25N3O5 MolecularWeight: 459.4938

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2=CC3=C(C=C2)C(=O)NC4=C(N3)C=CC(=C4)C(=O)N5CCCC5CO)O

Isomeric SMILES

COC1=C(C=CC(=C1)C2=CC3=C(C=C2)C(=O)NC4=C(N3)C=CC(=C4)C(=O)N5CCC[C@H]5CO)O

InChI

InChI=1S/C26H25N3O5/c1-34-24-13-16(6-9-23(24)31)15-4-7-19-21(11-15)27-20-8-5-17(12-22(20)28-25(19)32)26(33)29-10-2-3-18(29)14-30/h4-9,11-13,18,27,30-31H,2-3,10,14H2,1H3,(H,28,32)/t18-/m0/s1