11-[2-[4-(3-piperidin-1-ylpropoxy)-3-propyl-phenyl]ethanoyl]-5H-benzo[b][1,4]benzodiazepin-6-one

Systemtic Name: 11-[2-[4-(3-piperidin-1-ylpropoxy)-3-propyl-phenyl]ethanoyl]-5H-benzo[b][1,4]benzodiazepin-6-one Openeye Name: 11-[2-[4-[3-(1-piperidyl)propoxy]-3-propyl-phenyl]acetyl]-5H-benzo[b][1,4]benzodiazepin-6-one CAS Name: 11-[1-oxo-2-[4-[3-(1-piperidinyl)propoxy]-3-propylphenyl]ethyl]-5H-benzo[b][1,4]benzodiazepin-6-one IUPAC Name: 11-[2-[4-(3-piperidin-1-ylpropoxy)-3-propylphenyl]acetyl]-5H-benzo[b][1,4]benzodiazepin-6-one Traditional Name: 11-[2-[4-(3-piperidinopropoxy)-3-propyl-phenyl]acetyl]-5H-benzo[b][1,4]benzodiazepin-6-one Formula: C32H37N3O3 MolecularWeight: 511.65448

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1)CC(=O)N2C3=CC=CC=C3C(=O)NC4=CC=CC=C42)OCCCN5CCCCC5

Isomeric SMILES

CCCC1=C(C=CC(=C1)CC(=O)N2C3=CC=CC=C3C(=O)NC4=CC=CC=C42)OCCCN5CCCCC5

InChI

InChI=1S/C32H37N3O3/c1-2-11-25-22-24(16-17-30(25)38-21-10-20-34-18-8-3-9-19-34)23-31(36)35-28-14-6-4-12-26(28)32(37)33-27-13-5-7-15-29(27)35/h4-7,12-17,22H,2-3,8-11,18-21,23H2,1H3,(H,33,37)