3-[(7-chloranyl-2-cyclopropyl-quinazolin-4-yl)-(phenylmethyl)amino]-1-(4-ethylpiperazin-1-yl)propan-1-one

Systemtic Name: 3-[(7-chloranyl-2-cyclopropyl-quinazolin-4-yl)-(phenylmethyl)amino]-1-(4-ethylpiperazin-1-yl)propan-1-one Openeye Name: 3-[benzyl-(7-chloro-2-cyclopropyl-quinazolin-4-yl)amino]-1-(4-ethylpiperazin-1-yl)propan-1-one CAS Name: 3-[(7-chloro-2-cyclopropyl-4-quinazolinyl)-(phenylmethyl)amino]-1-(4-ethyl-1-piperazinyl)-1-propanone IUPAC Name: 3-[benzyl-(7-chloro-2-cyclopropylquinazolin-4-yl)amino]-1-(4-ethylpiperazin-1-yl)propan-1-one Traditional Name: 3-[benzyl-(7-chloro-2-cyclopropyl-quinazolin-4-yl)amino]-1-(4-ethylpiperazino)propan-1-one Formula: C27H32ClN5O MolecularWeight: 478.02888

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C(=O)CCN(CC2=CC=CC=C2)C3=NC(=NC4=C3C=CC(=C4)Cl)C5CC5

Isomeric SMILES

CCN1CCN(CC1)C(=O)CCN(CC2=CC=CC=C2)C3=NC(=NC4=C3C=CC(=C4)Cl)C5CC5

InChI

InChI=1S/C27H32ClN5O/c1-2-31-14-16-32(17-15-31)25(34)12-13-33(19-20-6-4-3-5-7-20)27-23-11-10-22(28)18-24(23)29-26(30-27)21-8-9-21/h3-7,10-11,18,21H,2,8-9,12-17,19H2,1H3