ethyl N-[6-[4-[4-(phenylmethyl)piperazin-1-yl]carbonylimidazol-1-yl]-4-pyrimidin-2-yl-1H-benzimidazol-2-yl]carbamate

Systemtic Name: ethyl N-[6-[4-[4-(phenylmethyl)piperazin-1-yl]carbonylimidazol-1-yl]-4-pyrimidin-2-yl-1H-benzimidazol-2-yl]carbamate Openeye Name: ethyl N-[6-[4-(4-benzylpiperazine-1-carbonyl)imidazol-1-yl]-4-pyrimidin-2-yl-1H-benzimidazol-2-yl]carbamate CAS Name: N-[6-[4-[oxo-[4-(phenylmethyl)-1-piperazinyl]methyl]-1-imidazolyl]-4-(2-pyrimidinyl)-1H-benzimidazol-2-yl]carbamic acid ethyl ester IUPAC Name: ethyl N-[6-[4-(4-benzylpiperazine-1-carbonyl)imidazol-1-yl]-4-pyrimidin-2-yl-1H-benzimidazol-2-yl]carbamate Traditional Name: N-[6-[4-(4-benzylpiperazine-1-carbonyl)imidazol-1-yl]-4-(2-pyrimidyl)-1H-benzimidazol-2-yl]carbamic acid ethyl ester Formula: C29H29N9O3 MolecularWeight: 551.59906

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC1=NC2=C(N1)C=C(C=C2C3=NC=CC=N3)N4C=C(N=C4)C(=O)N5CCN(CC5)CC6=CC=CC=C6

Isomeric SMILES

CCOC(=O)NC1=NC2=C(N1)C=C(C=C2C3=NC=CC=N3)N4C=C(N=C4)C(=O)N5CCN(CC5)CC6=CC=CC=C6

InChI

InChI=1S/C29H29N9O3/c1-2-41-29(40)35-28-33-23-16-21(15-22(25(23)34-28)26-30-9-6-10-31-26)38-18-24(32-19-38)27(39)37-13-11-36(12-14-37)17-20-7-4-3-5-8-20/h3-10,15-16,18-19H,2,11-14,17H2,1H3,(H2,33,34,35,40)