N-[3-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]-3-oxidanylidene-propyl]naphthalene-2-carboxamide

Systemtic Name: N-[3-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]-3-oxidanylidene-propyl]naphthalene-2-carboxamide Openeye Name: N-[3-oxo-3-[4-(p-tolylmethyl)-1,4-diazepan-1-yl]propyl]naphthalene-2-carboxamide CAS Name: N-[3-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]-3-oxopropyl]-2-naphthalenecarboxamide IUPAC Name: N-[3-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]-3-oxopropyl]naphthalene-2-carboxamide Traditional Name: N-[3-keto-3-[4-(4-methylbenzyl)-1,4-diazepan-1-yl]propyl]-2-naphthamide Formula: C27H31N3O2 MolecularWeight: 429.55394

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)CCNC(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)CCNC(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C27H31N3O2/c1-21-7-9-22(10-8-21)20-29-15-4-16-30(18-17-29)26(31)13-14-28-27(32)25-12-11-23-5-2-3-6-24(23)19-25/h2-3,5-12,19H,4,13-18,20H2,1H3,(H,28,32)