ethyl N-[2-oxidanylidene-4-[[4-(phenylmethyl)-1,4-diazepan-1-yl]methyl]chromen-7-yl]carbamate

Systemtic Name: ethyl N-[2-oxidanylidene-4-[[4-(phenylmethyl)-1,4-diazepan-1-yl]methyl]chromen-7-yl]carbamate Openeye Name: ethyl N-[4-[(4-benzyl-1,4-diazepan-1-yl)methyl]-2-oxo-chromen-7-yl]carbamate CAS Name: N-[2-oxo-4-[[4-(phenylmethyl)-1,4-diazepan-1-yl]methyl]-1-benzopyran-7-yl]carbamic acid ethyl ester IUPAC Name: ethyl N-[4-[(4-benzyl-1,4-diazepan-1-yl)methyl]-2-oxochromen-7-yl]carbamate Traditional Name: N-[4-[(4-benzyl-1,4-diazepan-1-yl)methyl]-2-keto-chromen-7-yl]carbamic acid ethyl ester Formula: C25H29N3O4 MolecularWeight: 435.51546

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)CN3CCCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)CN3CCCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C25H29N3O4/c1-2-31-25(30)26-21-9-10-22-20(15-24(29)32-23(22)16-21)18-28-12-6-11-27(13-14-28)17-19-7-4-3-5-8-19/h3-5,7-10,15-16H,2,6,11-14,17-18H2,1H3,(H,26,30)