2-[4-[3-[4-(1,3-benzodioxol-4-ylamino)-6-methoxy-quinazolin-7-yl]oxypropyl]piperazin-1-yl]ethanenitrile

Systemtic Name: 2-[4-[3-[4-(1,3-benzodioxol-4-ylamino)-6-methoxy-quinazolin-7-yl]oxypropyl]piperazin-1-yl]ethanenitrile Openeye Name: 2-[4-[3-[4-(1,3-benzodioxol-4-ylamino)-6-methoxy-quinazolin-7-yl]oxypropyl]piperazin-1-yl]acetonitrile CAS Name: 2-[4-[3-[[4-(1,3-benzodioxol-4-ylamino)-6-methoxy-7-quinazolinyl]oxy]propyl]-1-piperazinyl]acetonitrile IUPAC Name: 2-[4-[3-[4-(1,3-benzodioxol-4-ylamino)-6-methoxyquinazolin-7-yl]oxypropyl]piperazin-1-yl]acetonitrile Traditional Name: 2-[4-[3-[4-(1,3-benzodioxol-4-ylamino)-6-methoxy-quinazolin-7-yl]oxypropyl]piperazino]acetonitrile Formula: C25H28N6O4 MolecularWeight: 476.52762

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC=N2)NC3=C4C(=CC=C3)OCO4)OCCCN5CCN(CC5)CC#N

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC=N2)NC3=C4C(=CC=C3)OCO4)OCCCN5CCN(CC5)CC#N

InChI

InChI=1S/C25H28N6O4/c1-32-22-14-18-20(15-23(22)33-13-3-7-30-9-11-31(8-6-26)12-10-30)27-16-28-25(18)29-19-4-2-5-21-24(19)35-17-34-21/h2,4-5,14-16H,3,7-13,17H2,1H3,(H,27,28,29)