1-[(1-methyl-5-phenoxy-3-phenyl-pyrazol-4-yl)methyl-(phenylmethyl)amino]-3-prop-2-ynoxy-propan-2-ol

Systemtic Name: 1-[(1-methyl-5-phenoxy-3-phenyl-pyrazol-4-yl)methyl-(phenylmethyl)amino]-3-prop-2-ynoxy-propan-2-ol Openeye Name: 1-[benzyl-[(1-methyl-5-phenoxy-3-phenyl-pyrazol-4-yl)methyl]amino]-3-prop-2-ynoxy-propan-2-ol CAS Name: 1-[(1-methyl-5-phenoxy-3-phenyl-4-pyrazolyl)methyl-(phenylmethyl)amino]-3-prop-2-ynoxy-2-propanol IUPAC Name: 1-[benzyl-[(1-methyl-5-phenoxy-3-phenylpyrazol-4-yl)methyl]amino]-3-prop-2-ynoxypropan-2-ol Traditional Name: 1-[benzyl-[(1-methyl-5-phenoxy-3-phenyl-pyrazol-4-yl)methyl]amino]-3-propargyloxy-propan-2-ol Formula: C30H31N3O3 MolecularWeight: 481.58544

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=N1)C2=CC=CC=C2)CN(CC3=CC=CC=C3)CC(COCC#C)O)OC4=CC=CC=C4

Isomeric SMILES

CN1C(=C(C(=N1)C2=CC=CC=C2)CN(CC3=CC=CC=C3)CC(COCC#C)O)OC4=CC=CC=C4

InChI

InChI=1S/C30H31N3O3/c1-3-19-35-23-26(34)21-33(20-24-13-7-4-8-14-24)22-28-29(25-15-9-5-10-16-25)31-32(2)30(28)36-27-17-11-6-12-18-27/h1,4-18,26,34H,19-23H2,2H3