4-[4-[(4-propan-2-yl-1,4-diazepan-1-yl)carbonyl]phenyl]benzenecarbonitrile

Systemtic Name: 4-[4-[(4-propan-2-yl-1,4-diazepan-1-yl)carbonyl]phenyl]benzenecarbonitrile Openeye Name: 4-[4-(4-isopropyl-1,4-diazepane-1-carbonyl)phenyl]benzonitrile CAS Name: 4-[4-[oxo-(4-propan-2-yl-1,4-diazepan-1-yl)methyl]phenyl]benzonitrile IUPAC Name: 4-[4-(4-propan-2-yl-1,4-diazepane-1-carbonyl)phenyl]benzonitrile Traditional Name: 4-[4-(4-isopropyl-1,4-diazepane-1-carbonyl)phenyl]benzonitrile Formula: C22H25N3O MolecularWeight: 347.4534

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1CCCN(CC1)C(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)C#N

Isomeric SMILES

CC(C)N1CCCN(CC1)C(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C22H25N3O/c1-17(2)24-12-3-13-25(15-14-24)22(26)21-10-8-20(9-11-21)19-6-4-18(16-23)5-7-19/h4-11,17H,3,12-15H2,1-2H3