2-(4-chlorophenyl)carbonyl-3,3-bis(propylamino)prop-2-enenitrile

Systemtic Name: 2-(4-chlorophenyl)carbonyl-3,3-bis(propylamino)prop-2-enenitrile Openeye Name: 2-(4-chlorobenzoyl)-3,3-bis(propylamino)prop-2-enenitrile CAS Name: 2-[(4-chlorophenyl)-oxomethyl]-3,3-bis(propylamino)-2-propenenitrile IUPAC Name: 2-(4-chlorobenzoyl)-3,3-bis(propylamino)prop-2-enenitrile Traditional Name: 2-(4-chlorobenzoyl)-3,3-bis(propylamino)acrylonitrile Formula: C16H20ClN3O MolecularWeight: 305.8025

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=C(C#N)C(=O)C1=CC=C(C=C1)Cl)NCCC

Isomeric SMILES

CCCNC(=C(C#N)C(=O)C1=CC=C(C=C1)Cl)NCCC

InChI

InChI=1S/C16H20ClN3O/c1-3-9-19-16(20-10-4-2)14(11-18)15(21)12-5-7-13(17)8-6-12/h5-8,19-20H,3-4,9-10H2,1-2H3