N-[4-(azepan-1-ylcarbonyl)phenyl]-7-(diethylamino)-2-oxidanylidene-chromene-3-carboxamide

Systemtic Name: N-[4-(azepan-1-ylcarbonyl)phenyl]-7-(diethylamino)-2-oxidanylidene-chromene-3-carboxamide Openeye Name: N-[4-(azepane-1-carbonyl)phenyl]-7-(diethylamino)-2-oxo-chromene-3-carboxamide CAS Name: N-[4-[1-azepanyl(oxo)methyl]phenyl]-7-(diethylamino)-2-oxo-1-benzopyran-3-carboxamide IUPAC Name: N-[4-(azepane-1-carbonyl)phenyl]-7-(diethylamino)-2-oxochromene-3-carboxamide Traditional Name: N-[4-(azepane-1-carbonyl)phenyl]-7-(diethylamino)-2-keto-chromene-3-carboxamide Formula: C27H31N3O4 MolecularWeight: 461.55274

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)C(=O)NC3=CC=C(C=C3)C(=O)N4CCCCCC4

Isomeric SMILES

CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)C(=O)NC3=CC=C(C=C3)C(=O)N4CCCCCC4

InChI

InChI=1S/C27H31N3O4/c1-3-29(4-2)22-14-11-20-17-23(27(33)34-24(20)18-22)25(31)28-21-12-9-19(10-13-21)26(32)30-15-7-5-6-8-16-30/h9-14,17-18H,3-8,15-16H2,1-2H3,(H,28,31)