1-[6-[4-[(2-nitrophenyl)methyl]-1,4-diazepan-1-yl]pyridin-3-yl]-3-propan-2-yl-urea

Systemtic Name: 1-[6-[4-[(2-nitrophenyl)methyl]-1,4-diazepan-1-yl]pyridin-3-yl]-3-propan-2-yl-urea Openeye Name: 1-isopropyl-3-[6-[4-[(2-nitrophenyl)methyl]-1,4-diazepan-1-yl]-3-pyridyl]urea CAS Name: 1-[6-[4-[(2-nitrophenyl)methyl]-1,4-diazepan-1-yl]-3-pyridinyl]-3-propan-2-ylurea IUPAC Name: 1-[6-[4-[(2-nitrophenyl)methyl]-1,4-diazepan-1-yl]pyridin-3-yl]-3-propan-2-ylurea Traditional Name: 1-isopropyl-3-[6-[4-(2-nitrobenzyl)-1,4-diazepan-1-yl]-3-pyridyl]urea Formula: C21H28N6O3 MolecularWeight: 412.48542

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)NC1=CN=C(C=C1)N2CCCN(CC2)CC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC(C)NC(=O)NC1=CN=C(C=C1)N2CCCN(CC2)CC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C21H28N6O3/c1-16(2)23-21(28)24-18-8-9-20(22-14-18)26-11-5-10-25(12-13-26)15-17-6-3-4-7-19(17)27(29)30/h3-4,6-9,14,16H,5,10-13,15H2,1-2H3,(H2,23,24,28)