[4-[4-azanyl-5-(2-chlorophenyl)-7-methoxy-quinolin-2-yl]-1,4-diazepan-1-yl]-morpholin-4-yl-methanone

Systemtic Name: [4-[4-azanyl-5-(2-chlorophenyl)-7-methoxy-quinolin-2-yl]-1,4-diazepan-1-yl]-morpholin-4-yl-methanone Openeye Name: [4-[4-amino-5-(2-chlorophenyl)-7-methoxy-2-quinolyl]-1,4-diazepan-1-yl]-morpholino-methanone CAS Name: [4-[4-amino-5-(2-chlorophenyl)-7-methoxy-2-quinolinyl]-1,4-diazepan-1-yl]-(4-morpholinyl)methanone IUPAC Name: [4-[4-amino-5-(2-chlorophenyl)-7-methoxyquinolin-2-yl]-1,4-diazepan-1-yl]-morpholin-4-ylmethanone Traditional Name: [4-[4-amino-5-(2-chlorophenyl)-7-methoxy-2-quinolyl]-1,4-diazepan-1-yl]-morpholino-methanone Formula: C26H30ClN5O3 MolecularWeight: 496.0011

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C(=C1)C3=CC=CC=C3Cl)C(=CC(=N2)N4CCCN(CC4)C(=O)N5CCOCC5)N

Isomeric SMILES

COC1=CC2=C(C(=C1)C3=CC=CC=C3Cl)C(=CC(=N2)N4CCCN(CC4)C(=O)N5CCOCC5)N

InChI

InChI=1S/C26H30ClN5O3/c1-34-18-15-20(19-5-2-3-6-21(19)27)25-22(28)17-24(29-23(25)16-18)30-7-4-8-31(10-9-30)26(33)32-11-13-35-14-12-32/h2-3,5-6,15-17H,4,7-14H2,1H3,(H2,28,29)