4-[2-azanyl-3-[4-(diphenylmethyl)piperazin-1-yl]-3-oxidanylidene-propyl]benzenecarbonitrile

Systemtic Name: 4-[2-azanyl-3-[4-(diphenylmethyl)piperazin-1-yl]-3-oxidanylidene-propyl]benzenecarbonitrile Openeye Name: 4-[2-amino-3-(4-benzhydrylpiperazin-1-yl)-3-oxo-propyl]benzonitrile CAS Name: 4-[2-amino-3-[4-(diphenylmethyl)-1-piperazinyl]-3-oxopropyl]benzonitrile IUPAC Name: 4-[2-amino-3-(4-benzhydrylpiperazin-1-yl)-3-oxopropyl]benzonitrile Traditional Name: 4-[2-amino-3-(4-benzhydrylpiperazino)-3-keto-propyl]benzonitrile Formula: C27H28N4O MolecularWeight: 424.53742

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C(CC4=CC=C(C=C4)C#N)N

Isomeric SMILES

C1CN(CCN1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C(CC4=CC=C(C=C4)C#N)N

InChI

InChI=1S/C27H28N4O/c28-20-22-13-11-21(12-14-22)19-25(29)27(32)31-17-15-30(16-18-31)26(23-7-3-1-4-8-23)24-9-5-2-6-10-24/h1-14,25-26H,15-19,29H2