4-[3-(3-methyl-1,2-oxazol-5-yl)phenyl]-2-oxidanylidene-7-piperidin-1-yl-1,3-dihydro-1,5-benzodiazepine-8-carbonitrile

Systemtic Name: 4-[3-(3-methyl-1,2-oxazol-5-yl)phenyl]-2-oxidanylidene-7-piperidin-1-yl-1,3-dihydro-1,5-benzodiazepine-8-carbonitrile Openeye Name: 4-[3-(3-methylisoxazol-5-yl)phenyl]-2-oxo-7-(1-piperidyl)-1,3-dihydro-1,5-benzodiazepine-8-carbonitrile CAS Name: 4-[3-(3-methyl-5-isoxazolyl)phenyl]-2-oxo-7-(1-piperidinyl)-1,3-dihydro-1,5-benzodiazepine-8-carbonitrile IUPAC Name: 4-[3-(3-methyl-1,2-oxazol-5-yl)phenyl]-2-oxo-7-piperidin-1-yl-1,3-dihydro-1,5-benzodiazepine-8-carbonitrile Traditional Name: 2-keto-4-[3-(3-methylisoxazol-5-yl)phenyl]-7-piperidino-1,3-dihydro-1,5-benzodiazepine-8-carbonitrile Formula: C25H23N5O2 MolecularWeight: 425.48242

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1)C2=CC(=CC=C2)C3=NC4=C(C=C(C(=C4)N5CCCCC5)C#N)NC(=O)C3

Isomeric SMILES

CC1=NOC(=C1)C2=CC(=CC=C2)C3=NC4=C(C=C(C(=C4)N5CCCCC5)C#N)NC(=O)C3

InChI

InChI=1S/C25H23N5O2/c1-16-10-24(32-29-16)18-7-5-6-17(11-18)20-14-25(31)28-21-12-19(15-26)23(13-22(21)27-20)30-8-3-2-4-9-30/h5-7,10-13H,2-4,8-9,14H2,1H3,(H,28,31)