N-[4-(1H-imidazol-2-ylmethylamino)-5-[(1-methylpiperidin-4-yl)amino]-1-(1-naphthalen-1-ylethylamino)-1-oxidanylidene-pentan-2-yl]-N-methyl-benzamide

Systemtic Name: N-[4-(1H-imidazol-2-ylmethylamino)-5-[(1-methylpiperidin-4-yl)amino]-1-(1-naphthalen-1-ylethylamino)-1-oxidanylidene-pentan-2-yl]-N-methyl-benzamide Openeye Name: N-[3-(1H-imidazol-2-ylmethylamino)-4-[(1-methyl-4-piperidyl)amino]-1-[1-(1-naphthyl)ethylcarbamoyl]butyl]-N-methyl-benzamide CAS Name: N-[4-(1H-imidazol-2-ylmethylamino)-5-[(1-methyl-4-piperidinyl)amino]-1-[1-(1-naphthalenyl)ethylamino]-1-oxopentan-2-yl]-N-methylbenzamide IUPAC Name: N-[4-(1H-imidazol-2-ylmethylamino)-5-[(1-methylpiperidin-4-yl)amino]-1-(1-naphthalen-1-ylethylamino)-1-oxopentan-2-yl]-N-methylbenzamide Traditional Name: N-[3-(1H-imidazol-2-ylmethylamino)-4-[(1-methyl-4-piperidyl)amino]-1-[1-(1-naphthyl)ethylcarbamoyl]butyl]-N-methyl-benzamide Formula: C35H45N7O2 MolecularWeight: 595.7775

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC2=CC=CC=C21)NC(=O)C(CC(CNC3CCN(CC3)C)NCC4=NC=CN4)N(C)C(=O)C5=CC=CC=C5

Isomeric SMILES

CC(C1=CC=CC2=CC=CC=C21)NC(=O)C(CC(CNC3CCN(CC3)C)NCC4=NC=CN4)N(C)C(=O)C5=CC=CC=C5

InChI

InChI=1S/C35H45N7O2/c1-25(30-15-9-13-26-10-7-8-14-31(26)30)40-34(43)32(42(3)35(44)27-11-5-4-6-12-27)22-29(39-24-33-36-18-19-37-33)23-38-28-16-20-41(2)21-17-28/h4-15,18-19,25,28-29,32,38-39H,16-17,20-24H2,1-3H3,(H,36,37)(H,40,43)