5-azanyl-N-methyl-2-[4-(3-methylbutanoyl)-1,4-diazepan-1-yl]-N-(phenylmethyl)benzamide

Systemtic Name: 5-azanyl-N-methyl-2-[4-(3-methylbutanoyl)-1,4-diazepan-1-yl]-N-(phenylmethyl)benzamide Openeye Name: 5-amino-N-benzyl-N-methyl-2-[4-(3-methylbutanoyl)-1,4-diazepan-1-yl]benzamide CAS Name: 5-amino-N-methyl-2-[4-(3-methyl-1-oxobutyl)-1,4-diazepan-1-yl]-N-(phenylmethyl)benzamide IUPAC Name: 5-amino-N-benzyl-N-methyl-2-[4-(3-methylbutanoyl)-1,4-diazepan-1-yl]benzamide Traditional Name: 5-amino-N-benzyl-2-(4-isovaleryl-1,4-diazepan-1-yl)-N-methyl-benzamide Formula: C25H34N4O2 MolecularWeight: 422.56306

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)N1CCCN(CC1)C2=C(C=C(C=C2)N)C(=O)N(C)CC3=CC=CC=C3

Isomeric SMILES

CC(C)CC(=O)N1CCCN(CC1)C2=C(C=C(C=C2)N)C(=O)N(C)CC3=CC=CC=C3

InChI

InChI=1S/C25H34N4O2/c1-19(2)16-24(30)29-13-7-12-28(14-15-29)23-11-10-21(26)17-22(23)25(31)27(3)18-20-8-5-4-6-9-20/h4-6,8-11,17,19H,7,12-16,18,26H2,1-3H3