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

Systemtic Name: tert-butyl 4-[3-[2-(3,5-dimethyl-4-quinazolin-4-yl-piperazin-1-yl)ethanoylamino]-4-methyl-phenoxy]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[3-[[2-(3,5-dimethyl-4-quinazolin-4-yl-piperazin-1-yl)acetyl]amino]-4-methyl-phenoxy]piperidine-1-carboxylate CAS Name: 4-[3-[[2-[3,5-dimethyl-4-(4-quinazolinyl)-1-piperazinyl]-1-oxoethyl]amino]-4-methylphenoxy]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-[[2-(3,5-dimethyl-4-quinazolin-4-ylpiperazin-1-yl)acetyl]amino]-4-methylphenoxy]piperidine-1-carboxylate Traditional Name: 4-[3-[[2-(3,5-dimethyl-4-quinazolin-4-yl-piperazino)acetyl]amino]-4-methyl-phenoxy]piperidine-1-carboxylic acid tert-butyl ester Formula: C33H44N6O4 MolecularWeight: 588.74026

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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)OC5CCN(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)OC5CCN(CC5)C(=O)OC(C)(C)C)C

InChI

InChI=1S/C33H44N6O4/c1-22-11-12-26(42-25-13-15-38(16-14-25)32(41)43-33(4,5)6)17-29(22)36-30(40)20-37-18-23(2)39(24(3)19-37)31-27-9-7-8-10-28(27)34-21-35-31/h7-12,17,21,23-25H,13-16,18-20H2,1-6H3,(H,36,40)