4-(azepan-1-yl)-N-[1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]pyrimidin-2-amine

Systemtic Name: 4-(azepan-1-yl)-N-[1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]pyrimidin-2-amine Openeye Name: 4-(azepan-1-yl)-N-[1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]pyrimidin-2-amine CAS Name: 4-(1-azepanyl)-N-[1-[(4-chlorophenyl)methyl]-3-pyrrolidinyl]-2-pyrimidinamine IUPAC Name: 4-(azepan-1-yl)-N-[1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]pyrimidin-2-amine Traditional Name: [4-(azepan-1-yl)pyrimidin-2-yl]-[1-(4-chlorobenzyl)pyrrolidin-3-yl]amine Formula: C21H28ClN5 MolecularWeight: 385.93352

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=NC(=NC=C2)NC3CCN(C3)CC4=CC=C(C=C4)Cl

Isomeric SMILES

C1CCCN(CC1)C2=NC(=NC=C2)NC3CCN(C3)CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H28ClN5/c22-18-7-5-17(6-8-18)15-26-14-10-19(16-26)24-21-23-11-9-20(25-21)27-12-3-1-2-4-13-27/h5-9,11,19H,1-4,10,12-16H2,(H,23,24,25)