7,8-dimethoxy-1-methyl-5-[3-(3-piperidin-1-ylprop-1-ynyl)phenyl]-3H-1,4-benzodiazepin-2-one

Systemtic Name: 7,8-dimethoxy-1-methyl-5-[3-(3-piperidin-1-ylprop-1-ynyl)phenyl]-3H-1,4-benzodiazepin-2-one Openeye Name: 7,8-dimethoxy-1-methyl-5-[3-[3-(1-piperidyl)prop-1-ynyl]phenyl]-3H-1,4-benzodiazepin-2-one CAS Name: 7,8-dimethoxy-1-methyl-5-[3-[3-(1-piperidinyl)prop-1-ynyl]phenyl]-3H-1,4-benzodiazepin-2-one IUPAC Name: 7,8-dimethoxy-1-methyl-5-[3-(3-piperidin-1-ylprop-1-ynyl)phenyl]-3H-1,4-benzodiazepin-2-one Traditional Name: 7,8-dimethoxy-1-methyl-5-[3-(3-piperidinoprop-1-ynyl)phenyl]-3H-1,4-benzodiazepin-2-one Formula: C26H29N3O3 MolecularWeight: 431.52676

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)CN=C(C2=CC(=C(C=C21)OC)OC)C3=CC=CC(=C3)C#CCN4CCCCC4

Isomeric SMILES

CN1C(=O)CN=C(C2=CC(=C(C=C21)OC)OC)C3=CC=CC(=C3)C#CCN4CCCCC4

InChI

InChI=1S/C26H29N3O3/c1-28-22-17-24(32-3)23(31-2)16-21(22)26(27-18-25(28)30)20-11-7-9-19(15-20)10-8-14-29-12-5-4-6-13-29/h7,9,11,15-17H,4-6,12-14,18H2,1-3H3