4-(azepan-1-yl)-N-[1-[(3-nitrophenyl)methyl]piperidin-3-yl]pyrimidin-2-amine

Systemtic Name: 4-(azepan-1-yl)-N-[1-[(3-nitrophenyl)methyl]piperidin-3-yl]pyrimidin-2-amine Openeye Name: 4-(azepan-1-yl)-N-[1-[(3-nitrophenyl)methyl]-3-piperidyl]pyrimidin-2-amine CAS Name: 4-(1-azepanyl)-N-[1-[(3-nitrophenyl)methyl]-3-piperidinyl]-2-pyrimidinamine IUPAC Name: 4-(azepan-1-yl)-N-[1-[(3-nitrophenyl)methyl]piperidin-3-yl]pyrimidin-2-amine Traditional Name: [4-(azepan-1-yl)pyrimidin-2-yl]-[1-(3-nitrobenzyl)-3-piperidyl]amine Formula: C22H30N6O2 MolecularWeight: 410.5126

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=NC(=NC=C2)NC3CCCN(C3)CC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C2=NC(=NC=C2)NC3CCCN(C3)CC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H30N6O2/c29-28(30)20-9-5-7-18(15-20)16-26-12-6-8-19(17-26)24-22-23-11-10-21(25-22)27-13-3-1-2-4-14-27/h5,7,9-11,15,19H,1-4,6,8,12-14,16-17H2,(H,23,24,25)