N-(2-azanylethyl)-1-cyclopropylcarbonyl-4-(3-methylphenyl)carbonyl-piperazine-2-carboxamide

Systemtic Name: N-(2-azanylethyl)-1-cyclopropylcarbonyl-4-(3-methylphenyl)carbonyl-piperazine-2-carboxamide Openeye Name: N-(2-aminoethyl)-1-(cyclopropanecarbonyl)-4-(3-methylbenzoyl)piperazine-2-carboxamide CAS Name: N-(2-aminoethyl)-1-[cyclopropyl(oxo)methyl]-4-[(3-methylphenyl)-oxomethyl]-2-piperazinecarboxamide IUPAC Name: N-(2-aminoethyl)-1-(cyclopropanecarbonyl)-4-(3-methylbenzoyl)piperazine-2-carboxamide Traditional Name: N-(2-aminoethyl)-1-(cyclopropanecarbonyl)-4-m-toluoyl-piperazine-2-carboxamide Formula: C19H26N4O3 MolecularWeight: 358.43474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)N2CCN(C(C2)C(=O)NCCN)C(=O)C3CC3

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N2CCN(C(C2)C(=O)NCCN)C(=O)C3CC3

InChI

InChI=1S/C19H26N4O3/c1-13-3-2-4-15(11-13)18(25)22-9-10-23(19(26)14-5-6-14)16(12-22)17(24)21-8-7-20/h2-4,11,14,16H,5-10,12,20H2,1H3,(H,21,24)