4-(cyclopropylmethyl)-N-[4-[(3-ethynylphenyl)amino]-7-methoxy-quinazolin-6-yl]piperazine-1-carboxamide

Systemtic Name: 4-(cyclopropylmethyl)-N-[4-[(3-ethynylphenyl)amino]-7-methoxy-quinazolin-6-yl]piperazine-1-carboxamide Openeye Name: 4-(cyclopropylmethyl)-N-[4-(3-ethynylanilino)-7-methoxy-quinazolin-6-yl]piperazine-1-carboxamide CAS Name: 4-(cyclopropylmethyl)-N-[4-(3-ethynylanilino)-7-methoxy-6-quinazolinyl]-1-piperazinecarboxamide IUPAC Name: 4-(cyclopropylmethyl)-N-[4-(3-ethynylanilino)-7-methoxyquinazolin-6-yl]piperazine-1-carboxamide Traditional Name: 4-(cyclopropylmethyl)-N-[4-(3-ethynylanilino)-7-methoxy-quinazolin-6-yl]piperazine-1-carboxamide Formula: C26H28N6O2 MolecularWeight: 456.53952

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)N=CN=C2NC3=CC=CC(=C3)C#C)NC(=O)N4CCN(CC4)CC5CC5

Isomeric SMILES

COC1=C(C=C2C(=C1)N=CN=C2NC3=CC=CC(=C3)C#C)NC(=O)N4CCN(CC4)CC5CC5

InChI

InChI=1S/C26H28N6O2/c1-3-18-5-4-6-20(13-18)29-25-21-14-23(24(34-2)15-22(21)27-17-28-25)30-26(33)32-11-9-31(10-12-32)16-19-7-8-19/h1,4-6,13-15,17,19H,7-12,16H2,2H3,(H,30,33)(H,27,28,29)