1-[2-(1-methylpyrrol-2-yl)azepan-1-yl]-4-[(4-nitrophenyl)amino]butan-1-one

Systemtic Name: 1-[2-(1-methylpyrrol-2-yl)azepan-1-yl]-4-[(4-nitrophenyl)amino]butan-1-one Openeye Name: 1-[2-(1-methylpyrrol-2-yl)azepan-1-yl]-4-(4-nitroanilino)butan-1-one CAS Name: 1-[2-(1-methyl-2-pyrrolyl)-1-azepanyl]-4-(4-nitroanilino)-1-butanone IUPAC Name: 1-[2-(1-methylpyrrol-2-yl)azepan-1-yl]-4-(4-nitroanilino)butan-1-one Traditional Name: 1-[2-(1-methylpyrrol-2-yl)azepan-1-yl]-4-(4-nitroanilino)butan-1-one Formula: C21H28N4O3 MolecularWeight: 384.47202

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C2CCCCCN2C(=O)CCCNC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CN1C=CC=C1C2CCCCCN2C(=O)CCCNC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H28N4O3/c1-23-15-6-8-19(23)20-7-3-2-4-16-24(20)21(26)9-5-14-22-17-10-12-18(13-11-17)25(27)28/h6,8,10-13,15,20,22H,2-5,7,9,14,16H2,1H3