tert-butyl 4-[[3-[2-(3,5-dimethyl-4-quinazolin-4-yl-piperazin-1-yl)ethanoylamino]-4-methyl-phenyl]methyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[[3-[2-(3,5-dimethyl-4-quinazolin-4-yl-piperazin-1-yl)ethanoylamino]-4-methyl-phenyl]methyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[[3-[[2-(3,5-dimethyl-4-quinazolin-4-yl-piperazin-1-yl)acetyl]amino]-4-methyl-phenyl]methyl]piperazine-1-carboxylate CAS Name: 4-[[3-[[2-[3,5-dimethyl-4-(4-quinazolinyl)-1-piperazinyl]-1-oxoethyl]amino]-4-methylphenyl]methyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[3-[[2-(3,5-dimethyl-4-quinazolin-4-ylpiperazin-1-yl)acetyl]amino]-4-methylphenyl]methyl]piperazine-1-carboxylate Traditional Name: 4-[3-[[2-(3,5-dimethyl-4-quinazolin-4-yl-piperazino)acetyl]amino]-4-methyl-benzyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C33H45N7O3 MolecularWeight: 587.7555

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(N1C2=NC=NC3=CC=CC=C32)C)CC(=O)NC4=C(C=CC(=C4)CN5CCN(CC5)C(=O)OC(C)(C)C)C

Isomeric SMILES

CC1CN(CC(N1C2=NC=NC3=CC=CC=C32)C)CC(=O)NC4=C(C=CC(=C4)CN5CCN(CC5)C(=O)OC(C)(C)C)C

InChI

InChI=1S/C33H45N7O3/c1-23-11-12-26(20-37-13-15-39(16-14-37)32(42)43-33(4,5)6)17-29(23)36-30(41)21-38-18-24(2)40(25(3)19-38)31-27-9-7-8-10-28(27)34-22-35-31/h7-12,17,22,24-25H,13-16,18-21H2,1-6H3,(H,36,41)