[4-(4-azanyl-7-methoxy-6-phenylmethoxy-quinolin-2-yl)-1,4-diazepan-1-yl]-morpholin-4-yl-methanone hydrochloride

Systemtic Name: [4-(4-azanyl-7-methoxy-6-phenylmethoxy-quinolin-2-yl)-1,4-diazepan-1-yl]-morpholin-4-yl-methanone hydrochloride Openeye Name: [4-(4-amino-6-benzyloxy-7-methoxy-2-quinolyl)-1,4-diazepan-1-yl]-morpholino-methanone hydrochloride CAS Name: [4-(4-amino-7-methoxy-6-phenylmethoxy-2-quinolinyl)-1,4-diazepan-1-yl]-(4-morpholinyl)methanone hydrochloride IUPAC Name: [4-(4-amino-7-methoxy-6-phenylmethoxyquinolin-2-yl)-1,4-diazepan-1-yl]-morpholin-4-ylmethanone hydrochloride Traditional Name: [4-(4-amino-6-benzoxy-7-methoxy-2-quinolyl)-1,4-diazepan-1-yl]-morpholino-methanone hydrochloride Formula: C27H34ClN5O4 MolecularWeight: 528.04296

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=CC(=NC2=C1)N3CCCN(CC3)C(=O)N4CCOCC4)N)OCC5=CC=CC=C5.Cl

Isomeric SMILES

COC1=C(C=C2C(=CC(=NC2=C1)N3CCCN(CC3)C(=O)N4CCOCC4)N)OCC5=CC=CC=C5.Cl

InChI

InChI=1S/C27H33N5O4.ClH/c1-34-24-18-23-21(16-25(24)36-19-20-6-3-2-4-7-20)22(28)17-26(29-23)30-8-5-9-31(11-10-30)27(33)32-12-14-35-15-13-32;/h2-4,6-7,16-18H,5,8-15,19H2,1H3,(H2,28,29);1H