3-[(3S,5R)-5-[(4-cyclobutyl-1,4-diazepan-1-yl)carbonyl]pyrrolidin-3-yl]oxybenzenecarbonitrile

Systemtic Name: 3-[(3S,5R)-5-[(4-cyclobutyl-1,4-diazepan-1-yl)carbonyl]pyrrolidin-3-yl]oxybenzenecarbonitrile Openeye Name: 3-[(3S,5R)-5-(4-cyclobutyl-1,4-diazepane-1-carbonyl)pyrrolidin-3-yl]oxybenzonitrile CAS Name: 3-[[(3S,5R)-5-[(4-cyclobutyl-1,4-diazepan-1-yl)-oxomethyl]-3-pyrrolidinyl]oxy]benzonitrile IUPAC Name: 3-[(3S,5R)-5-(4-cyclobutyl-1,4-diazepane-1-carbonyl)pyrrolidin-3-yl]oxybenzonitrile Traditional Name: 3-[(3S,5R)-5-(4-cyclobutyl-1,4-diazepane-1-carbonyl)pyrrolidin-3-yl]oxybenzonitrile Formula: C21H28N4O2 MolecularWeight: 368.47262

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)N2CCCN(CC2)C(=O)C3CC(CN3)OC4=CC=CC(=C4)C#N

Isomeric SMILES

C1CC(C1)N2CCCN(CC2)C(=O)[C@H]3C[C@@H](CN3)OC4=CC=CC(=C4)C#N

InChI

InChI=1S/C21H28N4O2/c22-14-16-4-1-7-18(12-16)27-19-13-20(23-15-19)21(26)25-9-3-8-24(10-11-25)17-5-2-6-17/h1,4,7,12,17,19-20,23H,2-3,5-6,8-11,13,15H2/t19-,20+/m0/s1