N-[3-chloranyl-4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]-3-nitro-4-pyrrolidin-1-yl-benzamide

Systemtic Name: N-[3-chloranyl-4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-[3-chloro-4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-[3-chloro-4-[4-(3-methyl-1-oxobutyl)-1-piperazinyl]phenyl]-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-[3-chloro-4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-[3-chloro-4-(4-isovalerylpiperazino)phenyl]-3-nitro-4-pyrrolidino-benzamide Formula: C26H32ClN5O4 MolecularWeight: 514.01638

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)N1CCN(CC1)C2=C(C=C(C=C2)NC(=O)C3=CC(=C(C=C3)N4CCCC4)[N+](=O)[O-])Cl

Isomeric SMILES

CC(C)CC(=O)N1CCN(CC1)C2=C(C=C(C=C2)NC(=O)C3=CC(=C(C=C3)N4CCCC4)[N+](=O)[O-])Cl

InChI

InChI=1S/C26H32ClN5O4/c1-18(2)15-25(33)31-13-11-30(12-14-31)22-8-6-20(17-21(22)27)28-26(34)19-5-7-23(24(16-19)32(35)36)29-9-3-4-10-29/h5-8,16-18H,3-4,9-15H2,1-2H3,(H,28,34)