7-methyl-4-[[4-(phenylmethyl)-1,4-diazepan-1-yl]methyl]-6-propan-2-yl-chromen-2-one

Systemtic Name: 7-methyl-4-[[4-(phenylmethyl)-1,4-diazepan-1-yl]methyl]-6-propan-2-yl-chromen-2-one Openeye Name: 4-[(4-benzyl-1,4-diazepan-1-yl)methyl]-6-isopropyl-7-methyl-chromen-2-one CAS Name: 7-methyl-4-[[4-(phenylmethyl)-1,4-diazepan-1-yl]methyl]-6-propan-2-yl-1-benzopyran-2-one IUPAC Name: 4-[(4-benzyl-1,4-diazepan-1-yl)methyl]-7-methyl-6-propan-2-ylchromen-2-one Traditional Name: 4-[(4-benzyl-1,4-diazepan-1-yl)methyl]-6-isopropyl-7-methyl-coumarin Formula: C26H32N2O2 MolecularWeight: 404.54448

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)CN3CCCN(CC3)CC4=CC=CC=C4)C(C)C

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)CN3CCCN(CC3)CC4=CC=CC=C4)C(C)C

InChI

InChI=1S/C26H32N2O2/c1-19(2)23-16-24-22(15-26(29)30-25(24)14-20(23)3)18-28-11-7-10-27(12-13-28)17-21-8-5-4-6-9-21/h4-6,8-9,14-16,19H,7,10-13,17-18H2,1-3H3