[5-[[4-(1-methylindol-3-yl)carbonyl-1,4-diazepan-1-yl]methyl]furan-2-yl]methyl ethanoate

Systemtic Name: [5-[[4-(1-methylindol-3-yl)carbonyl-1,4-diazepan-1-yl]methyl]furan-2-yl]methyl ethanoate Openeye Name: [5-[[4-(1-methylindole-3-carbonyl)-1,4-diazepan-1-yl]methyl]-2-furyl]methyl acetate CAS Name: acetic acid [5-[[4-[(1-methyl-3-indolyl)-oxomethyl]-1,4-diazepan-1-yl]methyl]-2-furanyl]methyl ester IUPAC Name: [5-[[4-(1-methylindole-3-carbonyl)-1,4-diazepan-1-yl]methyl]furan-2-yl]methyl acetate Traditional Name: acetic acid [5-[[4-(1-methylindole-3-carbonyl)-1,4-diazepan-1-yl]methyl]-2-furyl]methyl ester Formula: C23H27N3O4 MolecularWeight: 409.47818

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1=CC=C(O1)CN2CCCN(CC2)C(=O)C3=CN(C4=CC=CC=C43)C

Isomeric SMILES

CC(=O)OCC1=CC=C(O1)CN2CCCN(CC2)C(=O)C3=CN(C4=CC=CC=C43)C

InChI

InChI=1S/C23H27N3O4/c1-17(27)29-16-19-9-8-18(30-19)14-25-10-5-11-26(13-12-25)23(28)21-15-24(2)22-7-4-3-6-20(21)22/h3-4,6-9,15H,5,10-14,16H2,1-2H3