4-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-3-nitro-N-propan-2-yl-benzamide

Systemtic Name: 4-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-3-nitro-N-propan-2-yl-benzamide Openeye Name: 4-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-N-isopropyl-3-nitro-benzamide CAS Name: 4-[4-(2-imidazo[1,2-a]pyridinylmethyl)-1-piperazinyl]-3-nitro-N-propan-2-ylbenzamide IUPAC Name: 4-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-3-nitro-N-propan-2-ylbenzamide Traditional Name: 4-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazino]-N-isopropyl-3-nitro-benzamide Formula: C22H26N6O3 MolecularWeight: 422.48024

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C1=CC(=C(C=C1)N2CCN(CC2)CC3=CN4C=CC=CC4=N3)[N+](=O)[O-]

Isomeric SMILES

CC(C)NC(=O)C1=CC(=C(C=C1)N2CCN(CC2)CC3=CN4C=CC=CC4=N3)[N+](=O)[O-]

InChI

InChI=1S/C22H26N6O3/c1-16(2)23-22(29)17-6-7-19(20(13-17)28(30)31)26-11-9-25(10-12-26)14-18-15-27-8-4-3-5-21(27)24-18/h3-8,13,15-16H,9-12,14H2,1-2H3,(H,23,29)