3-chloranyl-4-[4-[(4-propan-2-yl-1,4-diazepan-1-yl)carbonyl]piperidin-1-yl]benzenecarbonitrile

Systemtic Name: 3-chloranyl-4-[4-[(4-propan-2-yl-1,4-diazepan-1-yl)carbonyl]piperidin-1-yl]benzenecarbonitrile Openeye Name: 3-chloro-4-[4-(4-isopropyl-1,4-diazepane-1-carbonyl)-1-piperidyl]benzonitrile CAS Name: 3-chloro-4-[4-[oxo-(4-propan-2-yl-1,4-diazepan-1-yl)methyl]-1-piperidinyl]benzonitrile IUPAC Name: 3-chloro-4-[4-(4-propan-2-yl-1,4-diazepane-1-carbonyl)piperidin-1-yl]benzonitrile Traditional Name: 3-chloro-4-[4-(4-isopropyl-1,4-diazepane-1-carbonyl)piperidino]benzonitrile Formula: C21H29ClN4O MolecularWeight: 388.93416

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1CCCN(CC1)C(=O)C2CCN(CC2)C3=C(C=C(C=C3)C#N)Cl

Isomeric SMILES

CC(C)N1CCCN(CC1)C(=O)C2CCN(CC2)C3=C(C=C(C=C3)C#N)Cl

InChI

InChI=1S/C21H29ClN4O/c1-16(2)24-8-3-9-26(13-12-24)21(27)18-6-10-25(11-7-18)20-5-4-17(15-23)14-19(20)22/h4-5,14,16,18H,3,6-13H2,1-2H3