N-[1-(3-carbamimidoylphenyl)-3-(dimethylamino)-3-oxidanylidene-propyl]-3-methyl-4-pyrrolidin-1-ylcarbonyl-benzamide

Systemtic Name: N-[1-(3-carbamimidoylphenyl)-3-(dimethylamino)-3-oxidanylidene-propyl]-3-methyl-4-pyrrolidin-1-ylcarbonyl-benzamide Openeye Name: N-[1-(3-carbamimidoylphenyl)-3-(dimethylamino)-3-oxo-propyl]-3-methyl-4-(pyrrolidine-1-carbonyl)benzamide CAS Name: N-[1-(3-carbamimidoylphenyl)-3-(dimethylamino)-3-oxopropyl]-3-methyl-4-[oxo(1-pyrrolidinyl)methyl]benzamide IUPAC Name: N-[1-(3-carbamimidoylphenyl)-3-(dimethylamino)-3-oxopropyl]-3-methyl-4-(pyrrolidine-1-carbonyl)benzamide Traditional Name: N-[1-(3-amidinophenyl)-3-(dimethylamino)-3-keto-propyl]-3-methyl-4-(pyrrolidine-1-carbonyl)benzamide Formula: C25H31N5O3 MolecularWeight: 449.54534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)NC(CC(=O)N(C)C)C2=CC=CC(=C2)C(=N)N)C(=O)N3CCCC3

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)NC(CC(=O)N(C)C)C2=CC=CC(=C2)C(=N)N)C(=O)N3CCCC3

InChI

InChI=1S/C25H31N5O3/c1-16-13-19(9-10-20(16)25(33)30-11-4-5-12-30)24(32)28-21(15-22(31)29(2)3)17-7-6-8-18(14-17)23(26)27/h6-10,13-14,21H,4-5,11-12,15H2,1-3H3,(H3,26,27)(H,28,32)