6-(azepan-1-yl)-N-[2-[(2-nitrophenyl)amino]ethyl]pyridine-3-carboxamide

Systemtic Name: 6-(azepan-1-yl)-N-[2-[(2-nitrophenyl)amino]ethyl]pyridine-3-carboxamide Openeye Name: 6-(azepan-1-yl)-N-[2-(2-nitroanilino)ethyl]pyridine-3-carboxamide CAS Name: 6-(1-azepanyl)-N-[2-(2-nitroanilino)ethyl]-3-pyridinecarboxamide IUPAC Name: 6-(azepan-1-yl)-N-[2-(2-nitroanilino)ethyl]pyridine-3-carboxamide Traditional Name: 6-(azepan-1-yl)-N-[2-(2-nitroanilino)ethyl]nicotinamide Formula: C20H25N5O3 MolecularWeight: 383.4442

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=NC=C(C=C2)C(=O)NCCNC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C2=NC=C(C=C2)C(=O)NCCNC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C20H25N5O3/c26-20(22-12-11-21-17-7-3-4-8-18(17)25(27)28)16-9-10-19(23-15-16)24-13-5-1-2-6-14-24/h3-4,7-10,15,21H,1-2,5-6,11-14H2,(H,22,26)