2-(aminomethyl)-3-azanyl-4-naphthalen-2-yl-6-(4-phenylpiperazin-1-yl)benzenecarbonitrile

Systemtic Name: 2-(aminomethyl)-3-azanyl-4-naphthalen-2-yl-6-(4-phenylpiperazin-1-yl)benzenecarbonitrile Openeye Name: 3-amino-2-(aminomethyl)-4-(2-naphthyl)-6-(4-phenylpiperazin-1-yl)benzonitrile CAS Name: 3-amino-2-(aminomethyl)-4-(2-naphthalenyl)-6-(4-phenyl-1-piperazinyl)benzonitrile IUPAC Name: 3-amino-2-(aminomethyl)-4-naphthalen-2-yl-6-(4-phenylpiperazin-1-yl)benzonitrile Traditional Name: 3-amino-2-(aminomethyl)-4-(2-naphthyl)-6-(4-phenylpiperazino)benzonitrile Formula: C28H27N5 MolecularWeight: 433.54748

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C3=C(C(=C(C(=C3)C4=CC5=CC=CC=C5C=C4)N)CN)C#N

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C3=C(C(=C(C(=C3)C4=CC5=CC=CC=C5C=C4)N)CN)C#N

InChI

InChI=1S/C28H27N5/c29-18-25-26(19-30)28(31)24(22-11-10-20-6-4-5-7-21(20)16-22)17-27(25)33-14-12-32(13-15-33)23-8-2-1-3-9-23/h1-11,16-17H,12-15,19,30-31H2