4-(3-chlorophenyl)-N1-(1-pyrimidin-2-ylpiperidin-4-yl)benzene-1,2-diamine

Systemtic Name: 4-(3-chlorophenyl)-N1-(1-pyrimidin-2-ylpiperidin-4-yl)benzene-1,2-diamine Openeye Name: 4-(3-chlorophenyl)-N1-(1-pyrimidin-2-yl-4-piperidyl)benzene-1,2-diamine CAS Name: 4-(3-chlorophenyl)-N1-[1-(2-pyrimidinyl)-4-piperidinyl]benzene-1,2-diamine IUPAC Name: 4-(3-chlorophenyl)-1-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzene-1,2-diamine Traditional Name: [2-amino-4-(3-chlorophenyl)phenyl]-[1-(2-pyrimidyl)-4-piperidyl]amine Formula: C21H22ClN5 MolecularWeight: 379.88588

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NC2=C(C=C(C=C2)C3=CC(=CC=C3)Cl)N)C4=NC=CC=N4

Isomeric SMILES

C1CN(CCC1NC2=C(C=C(C=C2)C3=CC(=CC=C3)Cl)N)C4=NC=CC=N4

InChI

InChI=1S/C21H22ClN5/c22-17-4-1-3-15(13-17)16-5-6-20(19(23)14-16)26-18-7-11-27(12-8-18)21-24-9-2-10-25-21/h1-6,9-10,13-14,18,26H,7-8,11-12,23H2