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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=NC(=NC=C2)NC3CCN(CC3)CC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C2=NC(=NC=C2)NC3CCN(CC3)CC4=CC(=CC=C4)[N+](=O)[O-]

InChI

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