4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-7-methoxy-8-prop-2-enyl-quinazoline-6-carbonitrile

Systemtic Name: 4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-7-methoxy-8-prop-2-enyl-quinazoline-6-carbonitrile Openeye Name: 8-allyl-4-[(3-chloro-4-methoxy-phenyl)methylamino]-7-methoxy-quinazoline-6-carbonitrile CAS Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-7-methoxy-8-prop-2-enyl-6-quinazolinecarbonitrile IUPAC Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-7-methoxy-8-prop-2-enylquinazoline-6-carbonitrile Traditional Name: 8-allyl-4-[(3-chloro-4-methoxy-benzyl)amino]-7-methoxy-quinazoline-6-carbonitrile Formula: C21H19ClN4O2 MolecularWeight: 394.85416

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2=NC=NC3=C2C=C(C(=C3CC=C)OC)C#N)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=NC=NC3=C2C=C(C(=C3CC=C)OC)C#N)Cl

InChI

InChI=1S/C21H19ClN4O2/c1-4-5-15-19-16(9-14(10-23)20(15)28-3)21(26-12-25-19)24-11-13-6-7-18(27-2)17(22)8-13/h4,6-9,12H,1,5,11H2,2-3H3,(H,24,25,26)