N-[(1S)-1-(6-chloranyl-1H-benzimidazol-2-yl)-3-(2-chloroethylcarbamoylamino)propyl]-3-methyl-4-pyrrolidin-1-ylcarbonyl-benzamide

Systemtic Name: N-[(1S)-1-(6-chloranyl-1H-benzimidazol-2-yl)-3-(2-chloroethylcarbamoylamino)propyl]-3-methyl-4-pyrrolidin-1-ylcarbonyl-benzamide Openeye Name: N-[(1S)-1-(6-chloro-1H-benzimidazol-2-yl)-3-(2-chloroethylcarbamoylamino)propyl]-3-methyl-4-(pyrrolidine-1-carbonyl)benzamide CAS Name: N-[(1S)-1-(6-chloro-1H-benzimidazol-2-yl)-3-[[(2-chloroethylamino)-oxomethyl]amino]propyl]-3-methyl-4-[oxo(1-pyrrolidinyl)methyl]benzamide IUPAC Name: N-[(1S)-1-(6-chloro-1H-benzimidazol-2-yl)-3-(2-chloroethylcarbamoylamino)propyl]-3-methyl-4-(pyrrolidine-1-carbonyl)benzamide Traditional Name: N-[(1S)-1-(6-chloro-1H-benzimidazol-2-yl)-3-(2-chloroethylcarbamoylamino)propyl]-3-methyl-4-(pyrrolidine-1-carbonyl)benzamide Formula: C26H30Cl2N6O3 MolecularWeight: 545.4608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)NC(CCNC(=O)NCCCl)C2=NC3=C(N2)C=C(C=C3)Cl)C(=O)N4CCCC4

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)N[C@@H](CCNC(=O)NCCCl)C2=NC3=C(N2)C=C(C=C3)Cl)C(=O)N4CCCC4

InChI

InChI=1S/C26H30Cl2N6O3/c1-16-14-17(4-6-19(16)25(36)34-12-2-3-13-34)24(35)33-21(8-10-29-26(37)30-11-9-27)23-31-20-7-5-18(28)15-22(20)32-23/h4-7,14-15,21H,2-3,8-13H2,1H3,(H,31,32)(H,33,35)(H2,29,30,37)/t21-/m0/s1