2-[(2Z)-2-(2-oxidanylidene-1-prop-2-enyl-indol-3-ylidene)hydrazinyl]-3-phenyl-quinazolin-4-one hydrate

Systemtic Name: 2-[(2Z)-2-(2-oxidanylidene-1-prop-2-enyl-indol-3-ylidene)hydrazinyl]-3-phenyl-quinazolin-4-one hydrate Openeye Name: 2-[(2Z)-2-(1-allyl-2-oxo-indolin-3-ylidene)hydrazino]-3-phenyl-quinazolin-4-one hydrate CAS Name: 2-[(2Z)-2-(2-oxo-1-prop-2-enyl-3-indolylidene)hydrazinyl]-3-phenyl-4-quinazolinone hydrate IUPAC Name: 2-[(2Z)-2-(2-oxo-1-prop-2-enylindol-3-ylidene)hydrazinyl]-3-phenylquinazolin-4-one hydrate Traditional Name: 2-[(N'Z)-N'-(1-allyl-2-keto-indolin-3-ylidene)hydrazino]-3-phenyl-quinazolin-4-one hydrate Formula: C25H21N5O3 MolecularWeight: 439.46594

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C2=CC=CC=C2C(=NNC3=NC4=CC=CC=C4C(=O)N3C5=CC=CC=C5)C1=O.O

Isomeric SMILES

C=CCN1C2=CC=CC=C2/C(=N/NC3=NC4=CC=CC=C4C(=O)N3C5=CC=CC=C5)/C1=O.O

InChI

InChI=1S/C25H19N5O2.H2O/c1-2-16-29-21-15-9-7-13-19(21)22(24(29)32)27-28-25-26-20-14-8-6-12-18(20)23(31)30(25)17-10-4-3-5-11-17;/h2-15H,1,16H2,(H,26,28);1H2/b27-22-;