azepan-1-yl-[1-[4-(cyclopropylamino)-3-nitro-phenyl]carbonylpiperidin-4-yl]methanone

Systemtic Name: azepan-1-yl-[1-[4-(cyclopropylamino)-3-nitro-phenyl]carbonylpiperidin-4-yl]methanone Openeye Name: azepan-1-yl-[1-[4-(cyclopropylamino)-3-nitro-benzoyl]-4-piperidyl]methanone CAS Name: 1-azepanyl-[1-[[4-(cyclopropylamino)-3-nitrophenyl]-oxomethyl]-4-piperidinyl]methanone IUPAC Name: azepan-1-yl-[1-[4-(cyclopropylamino)-3-nitrobenzoyl]piperidin-4-yl]methanone Traditional Name: azepan-1-yl-[1-[4-(cyclopropylamino)-3-nitro-benzoyl]-4-piperidyl]methanone Formula: C22H30N4O4 MolecularWeight: 414.498

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2CCN(CC2)C(=O)C3=CC(=C(C=C3)NC4CC4)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C(=O)C2CCN(CC2)C(=O)C3=CC(=C(C=C3)NC4CC4)[N+](=O)[O-]

InChI

InChI=1S/C22H30N4O4/c27-21(24-11-3-1-2-4-12-24)16-9-13-25(14-10-16)22(28)17-5-8-19(23-18-6-7-18)20(15-17)26(29)30/h5,8,15-16,18,23H,1-4,6-7,9-14H2