2-phenyl-7-[(phenylmethyl)amino]-6-piperazin-1-yl-2-propan-2-yl-heptanenitrile

Systemtic Name: 2-phenyl-7-[(phenylmethyl)amino]-6-piperazin-1-yl-2-propan-2-yl-heptanenitrile Openeye Name: 7-(benzylamino)-2-isopropyl-2-phenyl-6-piperazin-1-yl-heptanenitrile CAS Name: 2-phenyl-7-[(phenylmethyl)amino]-6-(1-piperazinyl)-2-propan-2-ylheptanenitrile IUPAC Name: 7-(benzylamino)-2-phenyl-6-piperazin-1-yl-2-propan-2-ylheptanenitrile Traditional Name: 7-(benzylamino)-2-isopropyl-2-phenyl-6-piperazino-enanthonitrile Formula: C27H38N4 MolecularWeight: 418.61742

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCCC(CNCC1=CC=CC=C1)N2CCNCC2)(C#N)C3=CC=CC=C3

Isomeric SMILES

CC(C)C(CCCC(CNCC1=CC=CC=C1)N2CCNCC2)(C#N)C3=CC=CC=C3

InChI

InChI=1S/C27H38N4/c1-23(2)27(22-28,25-12-7-4-8-13-25)15-9-14-26(31-18-16-29-17-19-31)21-30-20-24-10-5-3-6-11-24/h3-8,10-13,23,26,29-30H,9,14-21H2,1-2H3