2-[[2-[(3-cyanophenyl)methylamino]-6-pyrrol-1-yl-pyrimidin-4-yl]amino]-N-[(4-isocyanophenyl)methyl]-3-naphthalen-2-yl-propanamide

Systemtic Name: 2-[[2-[(3-cyanophenyl)methylamino]-6-pyrrol-1-yl-pyrimidin-4-yl]amino]-N-[(4-isocyanophenyl)methyl]-3-naphthalen-2-yl-propanamide Openeye Name: 2-[[2-[(3-cyanophenyl)methylamino]-6-pyrrol-1-yl-pyrimidin-4-yl]amino]-N-[(4-isocyanophenyl)methyl]-3-(2-naphthyl)propanamide CAS Name: 2-[[2-[(3-cyanophenyl)methylamino]-6-(1-pyrrolyl)-4-pyrimidinyl]amino]-N-[(4-isocyanophenyl)methyl]-3-(2-naphthalenyl)propanamide IUPAC Name: 2-[[2-[(3-cyanophenyl)methylamino]-6-pyrrol-1-ylpyrimidin-4-yl]amino]-N-[(4-isocyanophenyl)methyl]-3-naphthalen-2-ylpropanamide Traditional Name: 2-[[2-[(3-cyanobenzyl)amino]-6-pyrrol-1-yl-pyrimidin-4-yl]amino]-N-(4-isocyanobenzyl)-3-(2-naphthyl)propionamide Formula: C37H30N8O MolecularWeight: 602.6871

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Descriptors Computed from Structure

Canonical SMILES:

[C-]#[N+]C1=CC=C(C=C1)CNC(=O)C(CC2=CC3=CC=CC=C3C=C2)NC4=NC(=NC(=C4)N5C=CC=C5)NCC6=CC=CC(=C6)C#N

Isomeric SMILES

[C-]#[N+]C1=CC=C(C=C1)CNC(=O)C(CC2=CC3=CC=CC=C3C=C2)NC4=NC(=NC(=C4)N5C=CC=C5)NCC6=CC=CC(=C6)C#N

InChI

InChI=1S/C37H30N8O/c1-39-32-15-12-26(13-16-32)24-40-36(46)33(21-27-11-14-30-9-2-3-10-31(30)20-27)42-34-22-35(45-17-4-5-18-45)44-37(43-34)41-25-29-8-6-7-28(19-29)23-38/h2-20,22,33H,21,24-25H2,(H,40,46)(H2,41,42,43,44)