4-[[1-(3,3-diphenylpropyl)piperidin-4-yl]amino]-3-nitro-benzenecarbonitrile

Systemtic Name: 4-[[1-(3,3-diphenylpropyl)piperidin-4-yl]amino]-3-nitro-benzenecarbonitrile Openeye Name: 4-[[1-(3,3-diphenylpropyl)-4-piperidyl]amino]-3-nitro-benzonitrile CAS Name: 4-[[1-(3,3-diphenylpropyl)-4-piperidinyl]amino]-3-nitrobenzonitrile IUPAC Name: 4-[[1-(3,3-diphenylpropyl)piperidin-4-yl]amino]-3-nitrobenzonitrile Traditional Name: 4-[[1-(3,3-diphenylpropyl)-4-piperidyl]amino]-3-nitro-benzonitrile Formula: C27H28N4O2 MolecularWeight: 440.53682

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NC2=C(C=C(C=C2)C#N)[N+](=O)[O-])CCC(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1NC2=C(C=C(C=C2)C#N)[N+](=O)[O-])CCC(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H28N4O2/c28-20-21-11-12-26(27(19-21)31(32)33)29-24-13-16-30(17-14-24)18-15-25(22-7-3-1-4-8-22)23-9-5-2-6-10-23/h1-12,19,24-25,29H,13-18H2