3-[4-[4-(1H-benzimidazol-2-ylmethylamino)-1-cyclopentyl-piperidin-4-yl]phenyl]benzenecarbonitrile

Systemtic Name: 3-[4-[4-(1H-benzimidazol-2-ylmethylamino)-1-cyclopentyl-piperidin-4-yl]phenyl]benzenecarbonitrile Openeye Name: 3-[4-[4-(1H-benzimidazol-2-ylmethylamino)-1-cyclopentyl-4-piperidyl]phenyl]benzonitrile CAS Name: 3-[4-[4-(1H-benzimidazol-2-ylmethylamino)-1-cyclopentyl-4-piperidinyl]phenyl]benzonitrile IUPAC Name: 3-[4-[4-(1H-benzimidazol-2-ylmethylamino)-1-cyclopentylpiperidin-4-yl]phenyl]benzonitrile Traditional Name: 3-[4-[4-(1H-benzimidazol-2-ylmethylamino)-1-cyclopentyl-4-piperidyl]phenyl]benzonitrile Formula: C31H33N5 MolecularWeight: 475.62722

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2CCC(CC2)(C3=CC=C(C=C3)C4=CC=CC(=C4)C#N)NCC5=NC6=CC=CC=C6N5

Isomeric SMILES

C1CCC(C1)N2CCC(CC2)(C3=CC=C(C=C3)C4=CC=CC(=C4)C#N)NCC5=NC6=CC=CC=C6N5

InChI

InChI=1S/C31H33N5/c32-21-23-6-5-7-25(20-23)24-12-14-26(15-13-24)31(16-18-36(19-17-31)27-8-1-2-9-27)33-22-30-34-28-10-3-4-11-29(28)35-30/h3-7,10-15,20,27,33H,1-2,8-9,16-19,22H2,(H,34,35)