4-(1H-indol-3-yl)-1-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]butan-1-one

Systemtic Name: 4-(1H-indol-3-yl)-1-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]butan-1-one Openeye Name: 4-(1H-indol-3-yl)-1-[4-(p-tolylmethyl)-1,4-diazepan-1-yl]butan-1-one CAS Name: 4-(1H-indol-3-yl)-1-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]-1-butanone IUPAC Name: 4-(1H-indol-3-yl)-1-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]butan-1-one Traditional Name: 4-(1H-indol-3-yl)-1-[4-(4-methylbenzyl)-1,4-diazepan-1-yl]butan-1-one Formula: C25H31N3O MolecularWeight: 389.53314

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)CCCC3=CNC4=CC=CC=C43

Isomeric SMILES

CC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)CCCC3=CNC4=CC=CC=C43

InChI

InChI=1S/C25H31N3O/c1-20-10-12-21(13-11-20)19-27-14-5-15-28(17-16-27)25(29)9-4-6-22-18-26-24-8-3-2-7-23(22)24/h2-3,7-8,10-13,18,26H,4-6,9,14-17,19H2,1H3