N-[3-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]-cyclohexyl-amino]propyl]-4-oxidanylidene-1H-quinazoline-2-carboxamide

Systemtic Name: N-[3-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]-cyclohexyl-amino]propyl]-4-oxidanylidene-1H-quinazoline-2-carboxamide Openeye Name: N-[3-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]-cyclohexyl-amino]propyl]-4-oxo-1H-quinazoline-2-carboxamide CAS Name: N-[3-[[(E)-3-(4-chlorophenyl)-1-oxoprop-2-enyl]-cyclohexylamino]propyl]-4-oxo-1H-quinazoline-2-carboxamide IUPAC Name: N-[3-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]-cyclohexylamino]propyl]-4-oxo-1H-quinazoline-2-carboxamide Traditional Name: N-[3-[[(E)-3-(4-chlorophenyl)acryloyl]-cyclohexyl-amino]propyl]-4-keto-1H-quinazoline-2-carboxamide Formula: C27H29ClN4O3 MolecularWeight: 492.99716

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N(CCCNC(=O)C2=NC(=O)C3=CC=CC=C3N2)C(=O)C=CC4=CC=C(C=C4)Cl

Isomeric SMILES

C1CCC(CC1)N(CCCNC(=O)C2=NC(=O)C3=CC=CC=C3N2)C(=O)/C=C/C4=CC=C(C=C4)Cl

InChI

InChI=1S/C27H29ClN4O3/c28-20-14-11-19(12-15-20)13-16-24(33)32(21-7-2-1-3-8-21)18-6-17-29-27(35)25-30-23-10-5-4-9-22(23)26(34)31-25/h4-5,9-16,21H,1-3,6-8,17-18H2,(H,29,35)(H,30,31,34)/b16-13+