(3S)-3-[bis(phenylmethyl)amino]-4-phenyl-2-[(phenylmethyl)amino]butanenitrile

Systemtic Name: (3S)-3-[bis(phenylmethyl)amino]-4-phenyl-2-[(phenylmethyl)amino]butanenitrile Openeye Name: (3S)-2-(benzylamino)-3-(dibenzylamino)-4-phenyl-butanenitrile CAS Name: (3S)-3-[bis(phenylmethyl)amino]-4-phenyl-2-[(phenylmethyl)amino]butanenitrile IUPAC Name: (3S)-2-(benzylamino)-3-(dibenzylamino)-4-phenylbutanenitrile Traditional Name: (3S)-2-(benzylamino)-3-(dibenzylamino)-4-phenyl-butyronitrile Formula: C31H31N3 MolecularWeight: 445.59794

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(C#N)NCC2=CC=CC=C2)N(CC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](C(C#N)NCC2=CC=CC=C2)N(CC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C31H31N3/c32-22-30(33-23-27-15-7-2-8-16-27)31(21-26-13-5-1-6-14-26)34(24-28-17-9-3-10-18-28)25-29-19-11-4-12-20-29/h1-20,30-31,33H,21,23-25H2/t30?,31-/m0/s1