4-(1-benzofuran-7-ylamino)-6-methoxy-7-[3-(4-prop-2-ynylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile

Systemtic Name: 4-(1-benzofuran-7-ylamino)-6-methoxy-7-[3-(4-prop-2-ynylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile Openeye Name: 4-(benzofuran-7-ylamino)-6-methoxy-7-[3-(4-prop-2-ynylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile CAS Name: 4-(7-benzofuranylamino)-6-methoxy-7-[3-(4-prop-2-ynyl-1-piperazinyl)propoxy]-3-quinolinecarbonitrile IUPAC Name: 4-(1-benzofuran-7-ylamino)-6-methoxy-7-[3-(4-prop-2-ynylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile Traditional Name: 4-(benzofuran-7-ylamino)-6-methoxy-7-[3-(4-propargylpiperazino)propoxy]quinoline-3-carbonitrile Formula: C29H29N5O3 MolecularWeight: 495.57226

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=C(C=N2)C#N)NC3=CC=CC4=C3OC=C4)OCCCN5CCN(CC5)CC#C

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=C(C=N2)C#N)NC3=CC=CC4=C3OC=C4)OCCCN5CCN(CC5)CC#C

InChI

InChI=1S/C29H29N5O3/c1-3-9-33-11-13-34(14-12-33)10-5-15-36-27-18-25-23(17-26(27)35-2)28(22(19-30)20-31-25)32-24-7-4-6-21-8-16-37-29(21)24/h1,4,6-8,16-18,20H,5,9-15H2,2H3,(H,31,32)