N-cyclopropyl-3-nitro-4-[4-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]-1,4-diazepan-1-yl]benzamide

Systemtic Name: N-cyclopropyl-3-nitro-4-[4-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]-1,4-diazepan-1-yl]benzamide Openeye Name: N-cyclopropyl-4-[4-[2-(isopropylamino)-2-oxo-ethyl]-1,4-diazepan-1-yl]-3-nitro-benzamide CAS Name: N-cyclopropyl-3-nitro-4-[4-[2-oxo-2-(propan-2-ylamino)ethyl]-1,4-diazepan-1-yl]benzamide IUPAC Name: N-cyclopropyl-3-nitro-4-[4-[2-oxo-2-(propan-2-ylamino)ethyl]-1,4-diazepan-1-yl]benzamide Traditional Name: N-cyclopropyl-4-[4-[2-(isopropylamino)-2-keto-ethyl]-1,4-diazepan-1-yl]-3-nitro-benzamide Formula: C20H29N5O4 MolecularWeight: 403.47536

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)CN1CCCN(CC1)C2=C(C=C(C=C2)C(=O)NC3CC3)[N+](=O)[O-]

Isomeric SMILES

CC(C)NC(=O)CN1CCCN(CC1)C2=C(C=C(C=C2)C(=O)NC3CC3)[N+](=O)[O-]

InChI

InChI=1S/C20H29N5O4/c1-14(2)21-19(26)13-23-8-3-9-24(11-10-23)17-7-4-15(12-18(17)25(28)29)20(27)22-16-5-6-16/h4,7,12,14,16H,3,5-6,8-11,13H2,1-2H3,(H,21,26)(H,22,27)