[5-[[4-(4-ethoxyphenyl)phthalazin-1-yl]amino]-2-methoxy-phenyl]-piperidin-1-yl-methanone

Systemtic Name: [5-[[4-(4-ethoxyphenyl)phthalazin-1-yl]amino]-2-methoxy-phenyl]-piperidin-1-yl-methanone Openeye Name: [5-[[4-(4-ethoxyphenyl)phthalazin-1-yl]amino]-2-methoxy-phenyl]-(1-piperidyl)methanone CAS Name: [5-[[4-(4-ethoxyphenyl)-1-phthalazinyl]amino]-2-methoxyphenyl]-(1-piperidinyl)methanone IUPAC Name: [5-[[4-(4-ethoxyphenyl)phthalazin-1-yl]amino]-2-methoxyphenyl]-piperidin-1-ylmethanone Traditional Name: [2-methoxy-5-[(4-p-phenetylphthalazin-1-yl)amino]phenyl]-piperidino-methanone Formula: C29H30N4O3 MolecularWeight: 482.5735

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)NC4=CC(=C(C=C4)OC)C(=O)N5CCCCC5

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)NC4=CC(=C(C=C4)OC)C(=O)N5CCCCC5

InChI

InChI=1S/C29H30N4O3/c1-3-36-22-14-11-20(12-15-22)27-23-9-5-6-10-24(23)28(32-31-27)30-21-13-16-26(35-2)25(19-21)29(34)33-17-7-4-8-18-33/h5-6,9-16,19H,3-4,7-8,17-18H2,1-2H3,(H,30,32)