N,N-diethyl-4-[phenyl-(4-prop-2-enyl-1,4-diazepan-1-yl)methyl]benzamide

Systemtic Name: N,N-diethyl-4-[phenyl-(4-prop-2-enyl-1,4-diazepan-1-yl)methyl]benzamide Openeye Name: 4-[(4-allyl-1,4-diazepan-1-yl)-phenyl-methyl]-N,N-diethyl-benzamide CAS Name: N,N-diethyl-4-[phenyl-(4-prop-2-enyl-1,4-diazepan-1-yl)methyl]benzamide IUPAC Name: N,N-diethyl-4-[phenyl-(4-prop-2-enyl-1,4-diazepan-1-yl)methyl]benzamide Traditional Name: 4-[(4-allyl-1,4-diazepan-1-yl)-phenyl-methyl]-N,N-diethyl-benzamide Formula: C26H35N3O MolecularWeight: 405.5756

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=CC=C(C=C1)C(C2=CC=CC=C2)N3CCCN(CC3)CC=C

Isomeric SMILES

CCN(CC)C(=O)C1=CC=C(C=C1)C(C2=CC=CC=C2)N3CCCN(CC3)CC=C

InChI

InChI=1S/C26H35N3O/c1-4-17-27-18-10-19-29(21-20-27)25(22-11-8-7-9-12-22)23-13-15-24(16-14-23)26(30)28(5-2)6-3/h4,7-9,11-16,25H,1,5-6,10,17-21H2,2-3H3