4-[[4-(3,3-diphenylpropyl)-1,4-diazepan-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-(3,3-diphenylpropyl)-1,4-diazepan-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(3,3-diphenylpropyl)-1,4-diazepan-1-yl]methyl]benzonitrile CAS Name: 4-[[4-(3,3-diphenylpropyl)-1,4-diazepan-1-yl]methyl]benzonitrile IUPAC Name: 4-[[4-(3,3-diphenylpropyl)-1,4-diazepan-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-(3,3-diphenylpropyl)-1,4-diazepan-1-yl]methyl]benzonitrile Formula: C28H31N3 MolecularWeight: 409.56584

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)CC2=CC=C(C=C2)C#N)CCC(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN(C1)CC2=CC=C(C=C2)C#N)CCC(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C28H31N3/c29-22-24-12-14-25(15-13-24)23-31-18-7-17-30(20-21-31)19-16-28(26-8-3-1-4-9-26)27-10-5-2-6-11-27/h1-6,8-15,28H,7,16-21,23H2