4-(1,4-diazepan-1-ylmethyl)-7-methyl-chromen-2-one

Systemtic Name: 4-(1,4-diazepan-1-ylmethyl)-7-methyl-chromen-2-one Openeye Name: 4-(1,4-diazepan-1-ylmethyl)-7-methyl-chromen-2-one CAS Name: 4-(1,4-diazepan-1-ylmethyl)-7-methyl-1-benzopyran-2-one IUPAC Name: 4-(1,4-diazepan-1-ylmethyl)-7-methylchromen-2-one Traditional Name: 4-(1,4-diazepan-1-ylmethyl)-7-methyl-coumarin Formula: C16H20N2O2 MolecularWeight: 272.3422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC(=O)O2)CN3CCCNCC3

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)CN3CCCNCC3

InChI

InChI=1S/C16H20N2O2/c1-12-3-4-14-13(10-16(19)20-15(14)9-12)11-18-7-2-5-17-6-8-18/h3-4,9-10,17H,2,5-8,11H2,1H3