7-chloranyl-5-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-1-pentyl-3-(phenylmethyl)-3,4-dihydro-1,4-benzodiazepin-2-one

Systemtic Name: 7-chloranyl-5-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-1-pentyl-3-(phenylmethyl)-3,4-dihydro-1,4-benzodiazepin-2-one Openeye Name: 3-benzyl-7-chloro-5-(4-oxocyclohexa-2,5-dien-1-ylidene)-1-pentyl-3,4-dihydro-1,4-benzodiazepin-2-one CAS Name: 7-chloro-5-(4-oxo-1-cyclohexa-2,5-dienylidene)-1-pentyl-3-(phenylmethyl)-3,4-dihydro-1,4-benzodiazepin-2-one IUPAC Name: 3-benzyl-7-chloro-5-(4-oxocyclohexa-2,5-dien-1-ylidene)-1-pentyl-3,4-dihydro-1,4-benzodiazepin-2-one Traditional Name: 1-amyl-3-benzyl-7-chloro-5-(4-ketocyclohexa-2,5-dien-1-ylidene)-3,4-dihydro-1,4-benzodiazepin-2-one Formula: C27H27ClN2O2 MolecularWeight: 446.96848

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C2=C(C=C(C=C2)Cl)C(=C3C=CC(=O)C=C3)NC(C1=O)CC4=CC=CC=C4

Isomeric SMILES

CCCCCN1C2=C(C=C(C=C2)Cl)C(=C3C=CC(=O)C=C3)NC(C1=O)CC4=CC=CC=C4

InChI

InChI=1S/C27H27ClN2O2/c1-2-3-7-16-30-25-15-12-21(28)18-23(25)26(20-10-13-22(31)14-11-20)29-24(27(30)32)17-19-8-5-4-6-9-19/h4-6,8-15,18,24,29H,2-3,7,16-17H2,1H3