4-butanoyl-3-(phenylmethyl)-1,2,3,5-tetrahydro-1,4-benzodiazepine-7-carbonitrile

Systemtic Name: 4-butanoyl-3-(phenylmethyl)-1,2,3,5-tetrahydro-1,4-benzodiazepine-7-carbonitrile Openeye Name: 3-benzyl-4-butanoyl-1,2,3,5-tetrahydro-1,4-benzodiazepine-7-carbonitrile CAS Name: 4-(1-oxobutyl)-3-(phenylmethyl)-1,2,3,5-tetrahydro-1,4-benzodiazepine-7-carbonitrile IUPAC Name: 3-benzyl-4-butanoyl-1,2,3,5-tetrahydro-1,4-benzodiazepine-7-carbonitrile Traditional Name: 3-benzyl-4-butyryl-1,2,3,5-tetrahydro-1,4-benzodiazepine-7-carbonitrile Formula: C21H23N3O MolecularWeight: 333.42682

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N1CC2=C(C=CC(=C2)C#N)NCC1CC3=CC=CC=C3

Isomeric SMILES

CCCC(=O)N1CC2=C(C=CC(=C2)C#N)NCC1CC3=CC=CC=C3

InChI

InChI=1S/C21H23N3O/c1-2-6-21(25)24-15-18-11-17(13-22)9-10-20(18)23-14-19(24)12-16-7-4-3-5-8-16/h3-5,7-11,19,23H,2,6,12,14-15H2,1H3