N-[[3-(cyclopropylcarbonylamino)phenyl]methyl]-4-[2-oxidanylidene-2-(propylamino)ethyl]piperazine-1-carboxamide

Systemtic Name: N-[[3-(cyclopropylcarbonylamino)phenyl]methyl]-4-[2-oxidanylidene-2-(propylamino)ethyl]piperazine-1-carboxamide Openeye Name: N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-4-[2-oxo-2-(propylamino)ethyl]piperazine-1-carboxamide CAS Name: N-[[3-[[cyclopropyl(oxo)methyl]amino]phenyl]methyl]-4-[2-oxo-2-(propylamino)ethyl]-1-piperazinecarboxamide IUPAC Name: N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-4-[2-oxo-2-(propylamino)ethyl]piperazine-1-carboxamide Traditional Name: N-[3-(cyclopropanecarbonylamino)benzyl]-4-[2-keto-2-(propylamino)ethyl]piperazine-1-carboxamide Formula: C21H31N5O3 MolecularWeight: 401.50254

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)CN1CCN(CC1)C(=O)NCC2=CC(=CC=C2)NC(=O)C3CC3

Isomeric SMILES

CCCNC(=O)CN1CCN(CC1)C(=O)NCC2=CC(=CC=C2)NC(=O)C3CC3

InChI

InChI=1S/C21H31N5O3/c1-2-8-22-19(27)15-25-9-11-26(12-10-25)21(29)23-14-16-4-3-5-18(13-16)24-20(28)17-6-7-17/h3-5,13,17H,2,6-12,14-15H2,1H3,(H,22,27)(H,23,29)(H,24,28)