5-cyclohexyl-1-[5-[2-(furan-3-ylmethylamino)ethylamino]pyridin-2-yl]-8-methyl-3-propan-2-yl-1,3,4-benzotriazepin-2-one

Systemtic Name: 5-cyclohexyl-1-[5-[2-(furan-3-ylmethylamino)ethylamino]pyridin-2-yl]-8-methyl-3-propan-2-yl-1,3,4-benzotriazepin-2-one Openeye Name: 5-cyclohexyl-1-[5-[2-(3-furylmethylamino)ethylamino]-2-pyridyl]-3-isopropyl-8-methyl-1,3,4-benzotriazepin-2-one CAS Name: 5-cyclohexyl-1-[5-[2-(3-furanylmethylamino)ethylamino]-2-pyridinyl]-8-methyl-3-propan-2-yl-1,3,4-benzotriazepin-2-one IUPAC Name: 5-cyclohexyl-1-[5-[2-(furan-3-ylmethylamino)ethylamino]pyridin-2-yl]-8-methyl-3-propan-2-yl-1,3,4-benzotriazepin-2-one Traditional Name: 5-cyclohexyl-1-[5-[2-(3-furfurylamino)ethylamino]-2-pyridyl]-3-isopropyl-8-methyl-1,3,4-benzotriazepin-2-one Formula: C30H38N6O2 MolecularWeight: 514.66172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=NN(C(=O)N2C3=NC=C(C=C3)NCCNCC4=COC=C4)C(C)C)C5CCCCC5

Isomeric SMILES

CC1=CC2=C(C=C1)C(=NN(C(=O)N2C3=NC=C(C=C3)NCCNCC4=COC=C4)C(C)C)C5CCCCC5

InChI

InChI=1S/C30H38N6O2/c1-21(2)36-30(37)35(27-17-22(3)9-11-26(27)29(34-36)24-7-5-4-6-8-24)28-12-10-25(19-33-28)32-15-14-31-18-23-13-16-38-20-23/h9-13,16-17,19-21,24,31-32H,4-8,14-15,18H2,1-3H3