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

Systemtic Name: 2-phenyl-7-[phenyl(propan-2-yl)amino]-6-piperazin-1-yl-2-propan-2-yl-heptanenitrile Openeye Name: 2-isopropyl-7-(N-isopropylanilino)-2-phenyl-6-piperazin-1-yl-heptanenitrile CAS Name: 2-phenyl-6-(1-piperazinyl)-2-propan-2-yl-7-(N-propan-2-ylanilino)heptanenitrile IUPAC Name: 2-phenyl-6-piperazin-1-yl-2-propan-2-yl-7-(N-propan-2-ylanilino)heptanenitrile Traditional Name: 2-isopropyl-7-(N-isopropylanilino)-2-phenyl-6-piperazino-enanthonitrile Formula: C29H42N4 MolecularWeight: 446.67058

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H42N4/c1-24(2)29(23-30,26-12-7-5-8-13-26)17-11-16-28(32-20-18-31-19-21-32)22-33(25(3)4)27-14-9-6-10-15-27/h5-10,12-15,24-25,28,31H,11,16-22H2,1-4H3