3-[3-[(2S)-4-oxidanylidene-3-propyl-1,2-dihydroquinazolin-2-yl]indol-1-yl]propanenitrile

Systemtic Name: 3-[3-[(2S)-4-oxidanylidene-3-propyl-1,2-dihydroquinazolin-2-yl]indol-1-yl]propanenitrile Openeye Name: 3-[3-[(2S)-4-oxo-3-propyl-1,2-dihydroquinazolin-2-yl]indol-1-yl]propanenitrile CAS Name: 3-[3-[(2S)-4-oxo-3-propyl-1,2-dihydroquinazolin-2-yl]-1-indolyl]propanenitrile IUPAC Name: 3-[3-[(2S)-4-oxo-3-propyl-1,2-dihydroquinazolin-2-yl]indol-1-yl]propanenitrile Traditional Name: 3-[3-[(2S)-4-keto-3-propyl-1,2-dihydroquinazolin-2-yl]indol-1-yl]propionitrile Formula: C22H22N4O MolecularWeight: 358.43628

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(NC2=CC=CC=C2C1=O)C3=CN(C4=CC=CC=C43)CCC#N

Isomeric SMILES

CCCN1[C@H](NC2=CC=CC=C2C1=O)C3=CN(C4=CC=CC=C43)CCC#N

InChI

InChI=1S/C22H22N4O/c1-2-13-26-21(24-19-10-5-3-9-17(19)22(26)27)18-15-25(14-7-12-23)20-11-6-4-8-16(18)20/h3-6,8-11,15,21,24H,2,7,13-14H2,1H3/t21-/m0/s1