1-[(3S)-3-[(3,4-dimethylphenyl)amino]piperidin-1-yl]-2-quinazolin-4-yloxy-ethanone

Systemtic Name: 1-[(3S)-3-[(3,4-dimethylphenyl)amino]piperidin-1-yl]-2-quinazolin-4-yloxy-ethanone Openeye Name: 1-[(3S)-3-(3,4-dimethylanilino)-1-piperidyl]-2-quinazolin-4-yloxy-ethanone CAS Name: 1-[(3S)-3-(3,4-dimethylanilino)-1-piperidinyl]-2-(4-quinazolinyloxy)ethanone IUPAC Name: 1-[(3S)-3-(3,4-dimethylanilino)piperidin-1-yl]-2-quinazolin-4-yloxyethanone Traditional Name: 1-[(3S)-3-(3,4-dimethylanilino)piperidino]-2-quinazolin-4-yloxy-ethanone Formula: C23H26N4O2 MolecularWeight: 390.47814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC2CCCN(C2)C(=O)COC3=NC=NC4=CC=CC=C43)C

Isomeric SMILES

CC1=C(C=C(C=C1)N[C@H]2CCCN(C2)C(=O)COC3=NC=NC4=CC=CC=C43)C

InChI

InChI=1S/C23H26N4O2/c1-16-9-10-18(12-17(16)2)26-19-6-5-11-27(13-19)22(28)14-29-23-20-7-3-4-8-21(20)24-15-25-23/h3-4,7-10,12,15,19,26H,5-6,11,13-14H2,1-2H3/t19-/m0/s1